Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H26N2O2/c1-25(2)16-17-8-11-20(12-9-17)24-22-13-10-19(15-23(22)27-4)18-6-5-7-21(14-18)26-3/h5-15,24H,16H2,1-4H3/p+1 |
InChIKey | InChI | 1.03 | SVFQGOYYBWCBTN-UHFFFAOYSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1)c2ccc(Nc3ccc(C[NH+](C)C)cc3)c(OC)c2 |
SMILES | CACTVS | 3.385 | COc1cccc(c1)c2ccc(Nc3ccc(C[NH+](C)C)cc3)c(OC)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[NH+](C)Cc1ccc(cc1)Nc2ccc(cc2OC)c3cccc(c3)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | C[NH+](C)Cc1ccc(cc1)Nc2ccc(cc2OC)c3cccc(c3)OC |